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1163729-47-2,MFCD13659409
Catalog No.:AA000C9C

1163729-47-2 | 4-Hydroxy-4-(trifluoromethyl)cyclohexanecarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$42.00   $29.00
- +
1g
96%
in stock  
$394.00   $276.00
- +
5g
96%
in stock  
$1,336.00   $935.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000C9C
Chemical Name:
4-Hydroxy-4-(trifluoromethyl)cyclohexanecarboxylic acid
CAS Number:
1163729-47-2
Molecular Formula:
C8H11F3O3
Molecular Weight:
212.1663
MDL Number:
MFCD13659409
SMILES:
OC(=O)C1CCC(CC1)(O)C(F)(F)F
Properties
Computed Properties
 
Complexity:
229  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ABBVIEINC-WO2014/179564,2014,A1Locationinpatent:Paragraph00152

[2]CurrentPatentAssignee:ABBVIEINC-US2016/122318,2016,A1Locationinpatent:Paragraph0299

[1]CurrentPatentAssignee:ABBVIEINC-US2016/122318,2016,A1Locationinpatent:Paragraph0285

[1]CurrentPatentAssignee:ABBVIEINC-US2016/122318,2016,A1

[1]CurrentPatentAssignee:angolul:ChemicalWorksofGedeonRichterPlc.GedeonRichterPlc.-WO2019/116324,2019,A1Locationinpatent:Page/Pagecolumn143

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2020/168148,2020,A1

Literature
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SDS
Tags:1163729-47-2 Molecular Formula|1163729-47-2 MDL|1163729-47-2 SMILES|1163729-47-2 4-Hydroxy-4-(trifluoromethyl)cyclohexanecarboxylic acid